2-bromo-1-methyl-1-pentylcyclopropane

C9H17Br — CID 67373096

IUPAC2-bromo-1-methyl-1-pentylcyclopropane
SMILESCCCCCC1(C)CC1Br
InChIInChI=1S/C9H17Br/c1-3-4-5-6-9(2)7-8(9)10/h8H,3-7H2,1-2H3
InChIKeyYBNYWTBNJVKELF-UHFFFAOYSA-N
MW205.14 g/mol
LogP3.74
Rot. Bonds4

About 2-bromo-1-methyl-1-pentylcyclopropane

2-bromo-1-methyl-1-pentylcyclopropane (PubChem CID 67373096) has the molecular formula C9H17Br and a molecular weight of 205.14 g/mol. Its IUPAC name is 2-bromo-1-methyl-1-pentylcyclopropane.

Molecular Properties

Compound Name2-bromo-1-methyl-1-pentylcyclopropane
PubChem CID67373096
Molecular FormulaC9H17Br
Molecular Weight205.14 g/mol
Exact Mass204.05
IUPAC Name2-bromo-1-methyl-1-pentylcyclopropane
SMILESCCCCCC1(C)CC1Br
InChIInChI=1S/C9H17Br/c1-3-4-5-6-9(2)7-8(9)10/h8H,3-7H2,1-2H3
InChIKeyYBNYWTBNJVKELF-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-methyl-1-pentylcyclopropane?
The IUPAC name of 2-bromo-1-methyl-1-pentylcyclopropane (CID 67373096) is 2-bromo-1-methyl-1-pentylcyclopropane.
What is the SMILES notation for 2-bromo-1-methyl-1-pentylcyclopropane?
The canonical SMILES for 2-bromo-1-methyl-1-pentylcyclopropane is CCCCCC1(C)CC1Br.
What is the InChIKey of 2-bromo-1-methyl-1-pentylcyclopropane?
The InChIKey is YBNYWTBNJVKELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Br/c1-3-4-5-6-9(2)7-8(9)10/h8H,3-7H2,1-2H3.
What are the key properties of 2-bromo-1-methyl-1-pentylcyclopropane?
2-bromo-1-methyl-1-pentylcyclopropane has a molecular weight of 205.14 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-methyl-1-pentylcyclopropane is sourced from PubChem (CID 67373096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).